2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide

C7H16N3O+ — CID 142466083

IUPAC2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide
SMILESC[N+]1(CC(=O)NN)CCCC1
InChIInChI=1S/C7H15N3O/c1-10(4-2-3-5-10)6-7(11)9-8/h2-6,8H2,1H3/p+1
InChIKeyAPMQOLDHPYUPNO-UHFFFAOYSA-O
MW158.22 g/mol
LogP-0.78
Rot. Bonds2

About 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide

2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide (PubChem CID 142466083) has the molecular formula C7H16N3O+ and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide
PubChem CID142466083
Molecular FormulaC7H16N3O+
Molecular Weight158.22 g/mol
Exact Mass158.13
IUPAC Name2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide
SMILESC[N+]1(CC(=O)NN)CCCC1
InChIInChI=1S/C7H15N3O/c1-10(4-2-3-5-10)6-7(11)9-8/h2-6,8H2,1H3/p+1
InChIKeyAPMQOLDHPYUPNO-UHFFFAOYSA-O
XLogP-0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide?
The IUPAC name of 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide (CID 142466083) is 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide.
What is the SMILES notation for 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide?
The canonical SMILES for 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide is C[N+]1(CC(=O)NN)CCCC1.
What is the InChIKey of 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide?
The InChIKey is APMQOLDHPYUPNO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N3O/c1-10(4-2-3-5-10)6-7(11)9-8/h2-6,8H2,1H3/p+1.
What are the key properties of 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide?
2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide has a molecular weight of 158.22 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-1-ium-1-yl)acetohydrazide is sourced from PubChem (CID 142466083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).